Monte Carlo simulation of the hard‐sphere fluid with quantum correction and estimate of its free energy

Byoung‐Jip Yoon; Harold A. Scheraga

doi:10.1063/1.453841

Monte Carlo simulation of the hard‐sphere fluid with quantum correction and estimate of its free energy

The Journal of Chemical Physics ◽

10.1063/1.453841 ◽

1988 ◽

Vol 88 (6) ◽

pp. 3923-3933 ◽

Cited By ~ 28

Author(s):

Byoung‐Jip Yoon ◽

Harold A. Scheraga

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Hard Sphere ◽

Quantum Correction ◽

Hard Sphere Fluid

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Monte Carlo simulation of the hard‐sphere fluid with a high‐temperature quantum correction in the region of the fluid–solid phase transition

The Journal of Chemical Physics ◽

10.1063/1.462559 ◽

1992 ◽

Vol 96 (9) ◽

pp. 7005-7009 ◽

Cited By ~ 7

Author(s):

Byoung Jip Yoon ◽

Mu Shik Jhon ◽

Harold A. Scheraga

Keyword(s):

Phase Transition ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

High Temperature ◽

Hard Sphere ◽

Quantum Correction ◽

Solid Phase ◽

Hard Sphere Fluid ◽

Solid Phase Transition

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Monte Carlo simulation of hard-sphere fluid and solid in a confined geometry

Physical Review B ◽

10.1103/physrevb.43.11523 ◽

1991 ◽

Vol 43 (13) ◽

pp. 11523-11526 ◽

Cited By ~ 13

Author(s):

S. T. Chui

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Hard Sphere ◽

Confined Geometry ◽

Hard Sphere Fluid

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Dielectric constant of the polarizable dipolar hard sphere fluid studied by Monte Carlo simulation and theories

Condensed Matter Physics ◽

10.5488/cmp.8.2.357 ◽

2005 ◽

Vol 8 (2) ◽

pp. 357 ◽

Cited By ~ 13

Author(s):

Valisko ◽

Boda

Keyword(s):

Monte Carlo Simulation ◽

Dielectric Constant ◽

Monte Carlo ◽

Hard Sphere ◽

Hard Sphere Fluid

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ADSORPTION OF HARD SPHERE FLUID IN POROUS MATERIAL: A MONTE CARLO SIMULATION APPROACH FOR PRESSURE CALCULATION

Condensed Matter Physics ◽

10.5488/cmp.6.4.573 ◽

2003 ◽

Vol 6 (4) ◽

pp. 573 ◽

Cited By ~ 1

Author(s):

Orea ◽

Duda

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Porous Material ◽

Hard Sphere ◽

Simulation Approach ◽

Hard Sphere Fluid ◽

Pressure Calculation

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A force-balance Monte Carlo simulation of the surface tension of a hard-sphere fluid

Molecular Physics ◽

10.1080/00268979300100631 ◽

1993 ◽

Vol 78 (4) ◽

pp. 943-959 ◽

Cited By ~ 23

Author(s):

Phil Attard ◽

Grant A. Moule

Keyword(s):

Surface Tension ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Hard Sphere ◽

Force Balance ◽

Hard Sphere Fluid

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Calculation of excess free energy from averaged acceptance ratio in Monte Carlo simulation for hard sphere and hard dumbbell fluids

Molecular Physics ◽

10.1080/00268979200100281 ◽

1992 ◽

Vol 75 (2) ◽

pp. 355-361 ◽

Cited By ~ 4

Author(s):

Seung Do Hong ◽

Byoung Jip Yoon ◽

Mu Shik Jhon

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Hard Sphere ◽

Excess Free Energy ◽

Acceptance Ratio ◽

Hard Dumbbell

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Thermodynamic perturbation theory of simple liquids: Monte Carlo simulation of a hard sphere system and the Helmholtz free energy of SW fluids

Journal of Structural Chemistry ◽

10.1134/s0022476612030092 ◽

2012 ◽

Vol 53 (3) ◽

pp. 476-486 ◽

Cited By ~ 15

Author(s):

Yu. T. Pavlyukhin

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Perturbation Theory ◽

Hard Sphere ◽

Helmholtz Free Energy ◽

Thermodynamic Perturbation Theory ◽

Simple Liquids ◽

Thermodynamic Perturbation

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An equation of state for the hard-sphere chain fluid: theory and Monte Carlo simulation

Chemical Engineering Science ◽

10.1016/0009-2509(94)e0097-a ◽

1994 ◽

Vol 49 (17) ◽

pp. 2777-2791 ◽

Cited By ~ 114

Author(s):

Jaeeon Chang ◽

Stanley I. Sandler

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Equation Of State ◽

Hard Sphere ◽

Fluid Theory

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Extending fragment-based free energy calculations with library monte carlo simulation: Annealing in interaction space

Journal of Computational Chemistry ◽

10.1002/jcc.21695 ◽

2010 ◽

Vol 32 (6) ◽

pp. 1135-1143 ◽

Cited By ~ 5

Author(s):

Steven Lettieri ◽

Artem B. Mamonov ◽

Daniel M. Zuckerman

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Interaction Space ◽

Free Energy Calculations ◽

Energy Calculations

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Quantum correction for the Monte Carlo simulation via the effective conduction-band edge equation

Semiconductor Science and Technology ◽

10.1088/0268-1242/19/1/009 ◽

2003 ◽

Vol 19 (1) ◽

pp. 54-60 ◽

Cited By ~ 22

Author(s):

Ting-wei Tang ◽

Bo Wu

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Conduction Band ◽

Quantum Correction ◽

Band Edge ◽

Conduction Band Edge ◽

Effective Conduction Band Edge

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